OEGetLipinskiDonorCount

unsigned int OEGetLipinskiDonorCount(const OEChem::OEMolBase &mol)

Returns the number of donors in a molecule based on the definition from the work of Lipinski ([Lipinski-1997]). It is defined to be the number of nitrogens and oxygens with at least one hydrogen attached.

See also

• OEGetLipinskiAcceptorCount function

• OEGetHBondDonorCount function

• Lipinski and Hydrogen-bonds section

• Lipinski Donors subsection describing filter files

Example

The OEGetLipinskiDonorCount function returns 2 for the molecule below.